2-(fluoromethyl)furan-3-carbaldehyde

C6H5FO2 — CID 173047250

IUPAC2-(fluoromethyl)furan-3-carbaldehyde
SMILESO=Cc1ccoc1CF
InChIInChI=1S/C6H5FO2/c7-3-6-5(4-8)1-2-9-6/h1-2,4H,3H2
InChIKeyGCHGBGLVXXNVTD-UHFFFAOYSA-N
MW128.10 g/mol
LogP1.56
Rot. Bonds2

About 2-(fluoromethyl)furan-3-carbaldehyde

2-(fluoromethyl)furan-3-carbaldehyde (PubChem CID 173047250) has the molecular formula C6H5FO2 and a molecular weight of 128.10 g/mol. Its IUPAC name is 2-(fluoromethyl)furan-3-carbaldehyde.

Molecular Properties

Compound Name2-(fluoromethyl)furan-3-carbaldehyde
PubChem CID173047250
Molecular FormulaC6H5FO2
Molecular Weight128.10 g/mol
Exact Mass128.03
IUPAC Name2-(fluoromethyl)furan-3-carbaldehyde
SMILESO=Cc1ccoc1CF
InChIInChI=1S/C6H5FO2/c7-3-6-5(4-8)1-2-9-6/h1-2,4H,3H2
InChIKeyGCHGBGLVXXNVTD-UHFFFAOYSA-N
XLogP1.56
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.10
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)furan-3-carbaldehyde?
The IUPAC name of 2-(fluoromethyl)furan-3-carbaldehyde (CID 173047250) is 2-(fluoromethyl)furan-3-carbaldehyde.
What is the SMILES notation for 2-(fluoromethyl)furan-3-carbaldehyde?
The canonical SMILES for 2-(fluoromethyl)furan-3-carbaldehyde is O=Cc1ccoc1CF.
What is the InChIKey of 2-(fluoromethyl)furan-3-carbaldehyde?
The InChIKey is GCHGBGLVXXNVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO2/c7-3-6-5(4-8)1-2-9-6/h1-2,4H,3H2.
What are the key properties of 2-(fluoromethyl)furan-3-carbaldehyde?
2-(fluoromethyl)furan-3-carbaldehyde has a molecular weight of 128.10 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)furan-3-carbaldehyde is sourced from PubChem (CID 173047250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).